SCHEMBL2155113

SCHEMBL2155113

Cc1ccccc1C(C(=O)N(C)C)(c1ccccc1C)P(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.36
PGK2 P07205 1/20 0.36
DRD4 P21917 1/20 0.34
OPRM1 P35372 1/20 0.34
DRD3 P35462 1/20 0.34
TSHR P16473 1/20 0.33
ACHE P22303 1/20 0.33
PTPN1 P18031 2/20 0.33
HPGD P15428 3/20 0.33
ACP3 P15309 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 2/20 0.33
FDPS P14324 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
POLB P06746 1/20 0.31
GABRA1 P14867 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2154816 0.77 OPRM1 (0.47) PGK1PGK2DRD4OPRM1DRD3
SCHEMBL1451743 0.74 PIN1 (0.43) TSHRSMN1; SMN2NPC1KMT2AMEN1
SCHEMBL3884603 0.71 PGK1 (0.42) PGK1PGK2TSHRACHEPTPN1
SCHEMBL2155108 0.69 HPGD (0.37) HPGDSMN1; SMN2KMT2APOLB
O-Xylene SCHEMBL1502379 0.69 TSHR (0.62) PGK1PGK2TSHRACHEHPGD
O-Xylene SCHEMBL29061119 0.69 TSHR (0.62) PGK1PGK2TSHRACHEHPGD
O-Xylene SCHEMBL29498826 0.69 TSHR (0.62) PGK1PGK2TSHRACHEHPGD
O-Xylene SCHEMBL30374736 0.69 TSHR (0.62) PGK1PGK2TSHRACHEHPGD
O-Xylene SCHEMBL17255245 0.69 TSHR (0.62) PGK1PGK2TSHRACHEHPGD
O-Xylene SCHEMBL30445238 0.69 TSHR (0.62) PGK1PGK2TSHRACHEHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2519100-B1 INTERMEDIATE COMPOUNDS AND PROCESSES FOR THE PREPARATION OF TAPENTADOL AND RELATED COMPOUNDS MAPI PHARMA LTD (IL) 2017-03-15 EP disclosed
US-8410176-B2 Intermediate compounds and processes for the preparation of tapentadol and related compounds MAPI PHARMA LTD. (IL) 2013-04-02 US disclosed
US-20120283463-A1 INTERMEDIATE COMPOUNDS AND PROCESSES FOR THE PREPARATION OF TAPENTADOL AND RELATED COMPOUNDS MAPI PHARMA LIMITED (IL) 2012-11-08 US disclosed
EP-2519100-A1 INTERMEDIATE COMPOUNDS AND PROCESSES FOR THE PREPARATION OF TAPENTADOL AND RELATED COMPOUNDS Mapi Pharma Limited (IL) 2012-11-07 EP disclosed
WO-2011080736-A1 INTERMEDIATE COMPOUNDS AND PROCESSES FOR THE PREPARATION OF TAPENTADOL AND RELATED COMPOUNDS MAPI PHARMA HK LIMITED (CN) 2011-07-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120283463-A1 INTERMEDIATE COMPOUNDS AND PROCESSES FOR THE PREPARATION OF TAPENTADOL AND RELATED COMPOUNDS PNMT, OPRK1, CYP2E1 PGK1 1557/4885PGK2 1656/4885DRD4 103/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.